N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide

C16H24N2O4S — CID 51089057

IUPACN-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H24N2O4S/c1-11(2)18-15(19)9-10-17-16(20)13-5-7-14(8-6-13)23(21,22)12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyITJWLIINTSMAGV-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.51
Rot. Bonds7

About N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide

N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide (PubChem CID 51089057) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide
PubChem CID51089057
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H24N2O4S/c1-11(2)18-15(19)9-10-17-16(20)13-5-7-14(8-6-13)23(21,22)12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyITJWLIINTSMAGV-UHFFFAOYSA-N
XLogP1.51
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 110764850
3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103734931
3-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]benzoic acid
CID 115596261
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 52510027
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide
CID 47067351
N-[3-oxo-3-(propan-2-ylamino)propyl]-3-sulfanylbenzamide
CID 107034658
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide
CID 55757965
N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide
CID 41148682
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55758428
4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide
CID 18166332
N-methyl-N-propan-2-yl-4-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]benzamide
CID 55760436
2-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 113228858

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide (CID 51089057) is N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide is CC(C)NC(=O)CCNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide?
The InChIKey is ITJWLIINTSMAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-11(2)18-15(19)9-10-17-16(20)13-5-7-14(8-6-13)23(21,22)12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide?
N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 51089057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).