1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide

C23H30N2O4S2 — CID 55608122

IUPAC1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc(C2(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1
InChIInChI=1S/C23H30N2O4S2/c1-22(2,3)17-4-6-18(7-5-17)23(10-11-23)21(26)24-16-19-8-9-20(30-19)31(27,28)25-12-14-29-15-13-25/h4-9H,10-16H2,1-3H3,(H,24,26)
InChIKeyASPMWWYTMYCIDR-UHFFFAOYSA-N
MW462.64 g/mol
LogP3.41
Rot. Bonds6

About 1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide

1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 55608122) has the molecular formula C23H30N2O4S2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID55608122
Molecular FormulaC23H30N2O4S2
Molecular Weight462.64 g/mol
Exact Mass462.16
IUPAC Name1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc(C2(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1
InChIInChI=1S/C23H30N2O4S2/c1-22(2,3)17-4-6-18(7-5-17)23(10-11-23)21(26)24-16-19-8-9-20(30-19)31(27,28)25-12-14-29-15-13-25/h4-9H,10-16H2,1-3H3,(H,24,26)
InChIKeyASPMWWYTMYCIDR-UHFFFAOYSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 120984439
2-(3-chloro-4-methoxyphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 53112407
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 41322705
2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide
CID 111228132
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
1-(furan-2-ylmethyl)-2-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 119114490
1-methylsulfonyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 41311402
1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-[(1R)-1-phenylethyl]urea
CID 41191153
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide
CID 32742505
5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 32741753
2-(3,4-dimethylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 41248003

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide (CID 55608122) is 1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide is CC(C)(C)c1ccc(C2(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is ASPMWWYTMYCIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S2/c1-22(2,3)17-4-6-18(7-5-17)23(10-11-23)21(26)24-16-19-8-9-20(30-19)31(27,28)25-12-14-29-15-13-25/h4-9H,10-16H2,1-3H3,(H,24,26).
What are the key properties of 1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide?
1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 462.64 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55608122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).