N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

C20H24N2O4S2 — CID 86940766

IUPACN-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESCC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)c1
InChIInChI=1S/C20H24N2O4S2/c1-20(2,3)28(25,26)12-13-5-4-6-15(11-13)21-19(24)16-9-10-17(27-16)22-18(23)14-7-8-14/h4-6,9-11,14H,7-8,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyVLRWQSOEVFFFHL-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.06
Rot. Bonds6

About N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (PubChem CID 86940766) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
PubChem CID86940766
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESCC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)c1
InChIInChI=1S/C20H24N2O4S2/c1-20(2,3)28(25,26)12-13-5-4-6-15(11-13)21-19(24)16-9-10-17(27-16)22-18(23)14-7-8-14/h4-6,9-11,14H,7-8,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyVLRWQSOEVFFFHL-UHFFFAOYSA-N
XLogP4.06
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]thiophene-2-carboxamide
CID 17492769
5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 24590454
N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide
CID 47134978
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid
CID 64671529
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173156
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119784319
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide
CID 119324076
(2S)-N-[3-(tert-butylsulfonylmethyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 95786903
5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide
CID 86848327
N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 16595029

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The IUPAC name of N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (CID 86940766) is N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The canonical SMILES for N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)c1.
What is the InChIKey of N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The InChIKey is VLRWQSOEVFFFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-20(2,3)28(25,26)12-13-5-4-6-15(11-13)21-19(24)16-9-10-17(27-16)22-18(23)14-7-8-14/h4-6,9-11,14H,7-8,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is sourced from PubChem (CID 86940766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).