N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide

C41H58N6O5S — CID 11320189

IUPACN,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(NCC(c3ccccc3)c3ccccc3)c(C(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C41H58N6O5S/c1-43(2)21-11-23-45(24-12-22-44(3)4)40(48)35-19-25-47(26-20-35)53(50,51)36-17-18-39(37(31-36)41(49)46-27-29-52-30-28-46)42-32-38(33-13-7-5-8-14-33)34-15-9-6-10-16-34/h5-10,13-18,31,35,38,42H,11-12,19-30,32H2,1-4H3
InChIKeyGGVNIEZAWIDXDA-UHFFFAOYSA-N
MW747.02 g/mol
LogP4.54
Rot. Bonds17

About N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide

N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 11320189) has the molecular formula C41H58N6O5S and a molecular weight of 747.02 g/mol. Its IUPAC name is N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID11320189
Molecular FormulaC41H58N6O5S
Molecular Weight747.02 g/mol
Exact Mass746.42
IUPAC NameN,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(NCC(c3ccccc3)c3ccccc3)c(C(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C41H58N6O5S/c1-43(2)21-11-23-45(24-12-22-44(3)4)40(48)35-19-25-47(26-20-35)53(50,51)36-17-18-39(37(31-36)41(49)46-27-29-52-30-28-46)42-32-38(33-13-7-5-8-14-33)34-15-9-6-10-16-34/h5-10,13-18,31,35,38,42H,11-12,19-30,32H2,1-4H3
InChIKeyGGVNIEZAWIDXDA-UHFFFAOYSA-N
XLogP4.54
TPSA105.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500747.02
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Nvp-saa164
CID 9831083
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N-methyl-2-({3-[(4-methylpiperidin-1-yl)sulfonyl]benzoyl}amino)benzamide
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N-[2-(azepan-1-ylcarbonyl)phenyl]-3-(morpholin-4-ylsulfonyl)benzamide
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CID 3240611
3-(morpholin-4-ylsulfonyl)-N-[2-(piperidin-1-ylcarbonyl)phenyl]benzamide
CID 3245349
N-methyl-2-{[3-(piperidin-1-ylsulfonyl)benzoyl]amino}benzamide
CID 3276062
4-(morpholin-4-ylmethyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]benzamide
CID 1138680
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
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{2-(2,2-Diphenyl-ethylamino)-5-[4-(4-isopropyl-piperazine-1-carbonyl)-piperidine-1-sulfonyl]-phenyl}-morpholin-4-yl-methanone
CID 9961595
2-methyl-N-[4-({[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]-amino}sulfonyl)-1-naphthyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 11320189) is N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide is CN(C)CCCN(CCCN(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(NCC(c3ccccc3)c3ccccc3)c(C(=O)N3CCOCC3)c2)CC1.
What is the InChIKey of N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is GGVNIEZAWIDXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H58N6O5S/c1-43(2)21-11-23-45(24-12-22-44(3)4)40(48)35-19-25-47(26-20-35)53(50,51)36-17-18-39(37(31-36)41(49)46-27-29-52-30-28-46)42-32-38(33-13-7-5-8-14-33)34-15-9-6-10-16-34/h5-10,13-18,31,35,38,42H,11-12,19-30,32H2,1-4H3.
What are the key properties of N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide?
N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 747.02 g/mol, XLogP of 4.54, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 11320189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).